Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.41 |
| ▸ | TEK | Q02763 | 1/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28084468 | 0.86 | KDR (0.46) | KDREPHB4TEKEPHX2 | |
| SCHEMBL20707771 | 0.85 | KMT2A (0.46) | KDRKMT2AMALT1MEN1TSHR | |
| SCHEMBL1527189 | 0.80 | ALDH1A1 (0.55) | KDREPHB4TEKEPHX2RECQL | |
| SCHEMBL16095311 | 0.77 | KDR (0.49) | KDREPHB4TEKBTKEPHX2 | |
| SCHEMBL17101064 | 0.77 | KDR (0.49) | KDREPHB4TEKEPHX2 | |
| SCHEMBL31642971 | 0.76 | KMT2A (0.48) | ABL1GPR35KMT2AMEN1TSHR | |
| SCHEMBL25626540 | 0.76 | KDR (0.48) | KDREPHB4TEKEPHX2RECQL | |
| SCHEMBL28084469 | 0.75 | KDR (0.54) | KDREPHB4TEKEPHX2 | |
| SCHEMBL24251859 | 0.75 | KMT2A (0.54) | ABL1GPR35KMT2AMEN1GAA | |
| SCHEMBL3505480 | 0.74 | KDR (0.46) | KDREPHB4TEKEPHX2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105924403-A | Cyclomalonamide compound with antitumor activity, and preparation method and application thereof | 西安交通大学 | 2016-09-07 | — | — | CN | disclosed |